2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide

C16H17N3O3 — CID 46966503

IUPAC2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(-c2ccco2)cc2cccnc21
InChIInChI=1S/C16H17N3O3/c1-21-9-7-17-15(20)11-19-13(14-5-3-8-22-14)10-12-4-2-6-18-16(12)19/h2-6,8,10H,7,9,11H2,1H3,(H,17,20)
InChIKeyOEQXLAJDHWBKAL-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.06
Rot. Bonds6

About 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide

2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 46966503) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID46966503
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(-c2ccco2)cc2cccnc21
InChIInChI=1S/C16H17N3O3/c1-21-9-7-17-15(20)11-19-13(14-5-3-8-22-14)10-12-4-2-6-18-16(12)19/h2-6,8,10H,7,9,11H2,1H3,(H,17,20)
InChIKeyOEQXLAJDHWBKAL-UHFFFAOYSA-N
XLogP2.06
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide (CID 46966503) is 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(-c2ccco2)cc2cccnc21.
What is the InChIKey of 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is OEQXLAJDHWBKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-9-7-17-15(20)11-19-13(14-5-3-8-22-14)10-12-4-2-6-18-16(12)19/h2-6,8,10H,7,9,11H2,1H3,(H,17,20).
What are the key properties of 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 46966503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).